canSAR589661
FEATURES
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NAMES
    SMILES
    NC(=O)CNS(=O)(=O)c1cccc(Nc2nc(Nc3cccc(S(=O)(=O)NCC(N)=O)c3)nc(Nc3ccc(-c4ccc(Nc5nc(Nc6cccc(S(=O)(=O)NCC(N)=O)c6)nc(Nc6cccc(S(=O)(=O)NCC(N)=O)c6)n5)cc4S(=O)(=O)[O-])c(S(=O)(=O)[O-])c3)n2)c1.[Na+].[Na+]
    InChI
    InChI=1S/C50H50N20O18S6.2Na/c51-41(71)23-55-89(75,76)33-9-1-5-27(17-33)59-45-65-46(60-28-6-2-10-34(18-28)90(77,78)56-24-42(52)72)68-49(67-45)63-31-13-15-37(39(21-31)93(83,84)85)38-16-14-32(22-40(38)94(86,87)88)64-50-69-47(61-29-7-3-11-35(19-29)91(79,80)57-25-43(53)73)66-48(70-50)62-30-8-4-12-36(20-30)92(81,82)58-26-44(54)74;;/h1-22,55-58H,23-26H2,(H2,51,71)(H2,52,72)(H2,53,73)(H2,54,74)(H,83,84,85)(H,86,87,88)(H3,59,60,63,65,67,68)(H3,61,62,64,66,69,70);;/q;2*+1/p-2
    MOLECULAR FORMULA
    C50H48N20Na2O18S6
    CROSS REFERENCES
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    canSAR589661
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1454.16
    AlogP-6.94
    HBond donors18
    HBond acceptors38
    Atoms144
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR589661.